SCHEMBL9002349

SCHEMBL9002349

CCOC(=O)Cc1cn2c(SCCNC(=S)Nc3ccccc3)cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ LMNA P02545 4/20 0.44
▸ ALOX12 P18054 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ TP53 P04637 3/20 0.41
▸ GAA P10253 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ USP2 O75604 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9001936 0.86 GAA (0.51) MAPTLMNAALOX12KMT2AMEN1
SCHEMBL9002237 0.82 MAPT (0.53) MAPTLMNAALOX12KMT2AMEN1
SCHEMBL9002614 0.80 F10 (0.41) MAPTKMT2ATP53GAAALDH1A1
SCHEMBL9001985 0.79 F10 (0.42) MAPTKMT2AMEN1HTTTP53
SCHEMBL9002337 0.78 SMN1; SMN2 (0.38) MAPTKMT2AMEN1TP53GAA
SCHEMBL9001947 0.77 ALDH1A1 (0.48) MAPTLMNAALOX12KMT2AMEN1
SCHEMBL9002430 0.72 MAPT (0.49) MAPTLMNAALOX12KMT2AMEN1
SCHEMBL20596633 0.69 GAA (0.47) MAPTKMT2AMEN1GAAMAPK1
SCHEMBL9001917 0.69 F10 (0.48) MAPTLMNAKMT2AMEN1GAA
SCHEMBL7982683 0.69 GAA (0.47) MAPTKMT2AMEN1GAAMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587383-A CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-24 — — US disclosed
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 — — EP disclosed
US-5395839-A Calmodulin and angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-07 — — US disclosed
US-5244908-A Calmodulin inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-14 — — US disclosed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 — — EP disclosed
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